2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

C13H12Cl2N2O2S — CID 71994849

IUPAC2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1cc(Cl)cc(Cl)c1)c1nccs1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8(13-16-2-3-20-13)17-12(18)7-19-11-5-9(14)4-10(15)6-11/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyKJVQFRXUHNCKNZ-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.71
Rot. Bonds5

About 2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 71994849) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID71994849
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1cc(Cl)cc(Cl)c1)c1nccs1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8(13-16-2-3-20-13)17-12(18)7-19-11-5-9(14)4-10(15)6-11/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyKJVQFRXUHNCKNZ-UHFFFAOYSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 120506340
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
2-(4-chlorophenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217637
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108760150
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 107030822

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (CID 71994849) is 2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is CC(NC(=O)COc1cc(Cl)cc(Cl)c1)c1nccs1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is KJVQFRXUHNCKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-8(13-16-2-3-20-13)17-12(18)7-19-11-5-9(14)4-10(15)6-11/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 331.22 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 71994849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).